CID 976710

Acetophenone, 4'-(2-piperidinoethoxy)-

Structural Information

Molecular Formula

C₁₅H₂₁NO₂

SMILES

CC(=O)C1=CC=C(C=C1)OCCN2CCCCC2

InChI

InChI=1S/C15H21NO2/c1-13(17)14-5-7-15(8-6-14)18-12-11-16-9-3-2-4-10-16/h5-8H,2-4,9-12H2,1H3

InChIKey

LXOOVOCUAZETDF-UHFFFAOYSA-N

Compound name

1-[4-(2-piperidin-1-ylethoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 247.15723 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.164506	158.8
[M+Na]+	270.146448	162.6
[M-H]-	246.149954	162.7
[M+NH4]+	265.191053	174.0
[M+K]+	286.120388	160.0
[M+H-H2O]+	230.154490	150.2
[M+HCOO]-	292.155431	176.8
[M+CH3COO]-	306.171081	193.9
[M+Na-2H]-	268.131896	161.4
[M]+	247.15668142	156.3
[M]-	247.15777858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe